N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide

C15H15ClN4O2 — CID 118712287

IUPACN-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C15H15ClN4O2/c1-2-17-15(22)20-13-7-6-10(9-18-13)14(21)19-12-5-3-4-11(16)8-12/h3-9H,2H2,1H3,(H,19,21)(H2,17,18,20,22)
InChIKeyADNUHFJBQGIBAF-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.13
Rot. Bonds4

About N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide

N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide (PubChem CID 118712287) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
PubChem CID118712287
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC NameN-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C15H15ClN4O2/c1-2-17-15(22)20-13-7-6-10(9-18-13)14(21)19-12-5-3-4-11(16)8-12/h3-9H,2H2,1H3,(H,19,21)(H2,17,18,20,22)
InChIKeyADNUHFJBQGIBAF-UHFFFAOYSA-N
XLogP3.13
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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5-Chloro-2-ethyl-9-methyl-13-{[methyl(phenyl)amino]methyl}-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470674
13-{[(3-Aminophenyl)amino]methyl}-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide (CID 118712287) is N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide is CCNC(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2)cn1.
What is the InChIKey of N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
The InChIKey is ADNUHFJBQGIBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-2-17-15(22)20-13-7-6-10(9-18-13)14(21)19-12-5-3-4-11(16)8-12/h3-9H,2H2,1H3,(H,19,21)(H2,17,18,20,22).
What are the key properties of N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118712287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).